HRID2327054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID24385

未命名化合物

HCID28123

Tetrahydroborate

H4B-

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(Cl)c(C)c(NCCOCCNC(=O)OC(C)(C)C)c2[N+](=O)[O-])cc1

HCID86590766

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(Cl)c(C)c(NCCOCCNC(=O)OC(C)(C)C)c2N)cc1

HCID86590768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eade2448d0924a98b6910e73d9f7d87f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[BH4-:1].[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][NH:15][c:16]1[c:17]([N+:43]([O-:44])=[O:45])[c:18]([N:24]([CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]2)[n:19][c:20]([Cl:23])[c:21]1[CH3:22])=[O:46].[CH3:47][OH:48].[Cl:49][CH2:50][Cl:51].[Na+:2].[Ni:53]([Cl:54])[Cl:55].[OH2:52]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][NH:15][c:16]1[c:17]([NH2:43])[c:18]([N:24]([CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]2)[n:19][c:20]([Cl:23])[c:21]1[CH3:22])=[O:46]